SCHEMBL20195388

SCHEMBL20195388

COc1ccccc1-c1cc(C)c(OCc2c(C)cccc2N(N)C(=O)N(C)N)nc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.35
PPARD Q03181 4/20 0.35
CTSA P10619 2/20 0.35
VDR P11473 3/20 0.35
ESR1 P03372 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ESR2 Q92731 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
CHRNA7 P36544 1/20 0.34
FFAR1 O14842 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17804512 0.85 HTR7 (0.38) HTR7THRBADORA2AADORA1FFAR1
SCHEMBL22590893 0.79 ADORA2A (0.35) PPARDCTSAVDRESR1THRA
SCHEMBL21317993 0.75 PARP15 (0.41) FFAR1ALDH1A1MAPTNPC1RAB9A
SCHEMBL22038754 0.75 FFAR1 (0.41) PPARDFFAR1
SCHEMBL20195399 0.75 FFAR1 (0.37) FFAR1ALDH1A1LMNA
SCHEMBL22038686 0.74 GYS1 (0.39) PPARDFFAR1ALDH1A1LMNA
SCHEMBL18831565 0.74 SLC22A12 (0.39) PPARAFFAR1MAPTRAB9A
SCHEMBL22038204 0.74 PARP15 (0.39) FFAR1ALDH1A1MAPTHPGD
SCHEMBL18831730 0.73 PTPN1 (0.34) FFAR1ALDH1A1TP53TSHR
SCHEMBL20195482 0.73 CYP3A4 (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed